RInChI=1.00.1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-9-13(10-8-12)18-11-5-6-14(18)19/h7-10H,5-6,11H2,1-4H3!C17H14N2O4/c20-11-14-10-13(5-8-16(14)19(22)23)12-3-6-15(7-4-12)18-9-1-2-17(18)21/h3-8,10-11H,1-2,9H2!C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!ClH/h1H<>C23H23N3O3/c1-2-29-23(28)18-13-17-12-16(7-10-20(17)25-21(24)14-18)15-5-8-19(9-6-15)26-11-3-4-22(26)27/h5-10,12-13H,2-4,11,14H2,1H3,(H2,24,25)<>C2H6O/c1-2-3/h3H,2H2,1H3!C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21/E:(1,2,3,4)(7,8)(9,10)(15,16)(20,21)/rA:21CCCCCCCCCCCCCCCCBNOOO/rB:;;;;s5;;;s7;d8;s5;d7s8;d9s10;s6;s1s2;s3s4s15;s12;s11s13s14;d14;s15s17;s16s17;/rC:;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23/E:(3,4)(6,7)(22,23)/CRV:19.5/rA:23CCCCCCCCCCCCCCCCCNNOOOO/rB:s1;;;;s3;d4;d5;s1;;;d3s4;s5d10s12;s10s11;d6s7;s8d14;s2;s9s15s17;s16;d11;d17;d19;d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12/E:(11,12)/CRV:9.5/rA:12CCCCCCCBrNOOO/rB:s1;;;d3s4;d1s3;d2s5;s6;s7;d4;d9;d9;/rC:;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1/rA:1Cl/rB:/rC:;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29/E:(5,6)(8,9)/rA:29CCCCCCCCCCCCCCCCCCCCCCCNNNOOO/rB:s1;;s3;;;;s5;d6;d7;s3;;;;d5s6;s7d12s15;s12s13;d13s14;d8s9;s10d17;s14;s4;s18;d21;s20s21;s11s19s22;d22;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/rA:3CCO/rB:s1;s2;/rC:;;;!0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/rC:;;;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-YYSWCEFASKJARU-UHFFFAOYSA-N-VLEDUKVENLQKQK-UHFFFAOYSA-N-UFRVBZVJVRHSNR-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L-VEXZGXHMUGYJMC-UHFFFAOYSA-N--ZNSIINCFJITAOO-UHFFFAOYSA-N--LFQSCWFLJHTTHZ-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KKVBQAVGIK-ZNSIINCFJI-YEWGMERWKG-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=NTTKAASXFPGHEFIDO-LUHFFFADPSCTJSA